1-cycloheptylpropane-1,2-diol

C10H20O2 — CID 103452573

IUPAC1-cycloheptylpropane-1,2-diol
SMILESCC(O)C(O)C1CCCCCC1
InChIInChI=1S/C10H20O2/c1-8(11)10(12)9-6-4-2-3-5-7-9/h8-12H,2-7H2,1H3
InChIKeyJLZCQYXVEVQMHD-UHFFFAOYSA-N
MW172.27 g/mol
LogP1.70
Rot. Bonds2

About 1-cycloheptylpropane-1,2-diol

1-cycloheptylpropane-1,2-diol (PubChem CID 103452573) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 1-cycloheptylpropane-1,2-diol.

Molecular Properties

Compound Name1-cycloheptylpropane-1,2-diol
PubChem CID103452573
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name1-cycloheptylpropane-1,2-diol
SMILESCC(O)C(O)C1CCCCCC1
InChIInChI=1S/C10H20O2/c1-8(11)10(12)9-6-4-2-3-5-7-9/h8-12H,2-7H2,1H3
InChIKeyJLZCQYXVEVQMHD-UHFFFAOYSA-N
XLogP1.70
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-cycloheptylpropane-1,2-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-cyclododecylbutan-2-ol
CID 10444334
1-cyclohexyl-2-cyclopentylethane-1,2-diol
CID 103459295
2-amino-1-cycloheptyl-3-methylbutan-1-ol
CID 115347541
3-cyclobutylbutan-2-ol
CID 54399039
(2S)-2-amino-1-cyclohexylpropan-1-ol;hydrochloride
CID 126622776
1-cyclobutyl-2,3-dimethylbutan-1-ol
CID 115837893
2-chloro-1-cyclopentylpropan-1-ol
CID 116863753
(1R,2R)-1-cyclohexyl-2-methylpropane-1,3-diol
CID 12709664
(1-cycloheptadecyl-2-methylpropyl)cycloheptadecane
CID 123633331
1-cyclopentyl-2-methylpropan-1-ol;ethane;N-propan-2-ylcyclopentanamine
CID 145336371
(3S)-3-cyclohexyl-3-hydroxy-2-methylpropanal
CID 87862322
1-cyclohexyl-1-propan-2-yloxypropan-2-ol
CID 67782427

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptylpropane-1,2-diol?
The IUPAC name of 1-cycloheptylpropane-1,2-diol (CID 103452573) is 1-cycloheptylpropane-1,2-diol.
What is the SMILES notation for 1-cycloheptylpropane-1,2-diol?
The canonical SMILES for 1-cycloheptylpropane-1,2-diol is CC(O)C(O)C1CCCCCC1.
What is the InChIKey of 1-cycloheptylpropane-1,2-diol?
The InChIKey is JLZCQYXVEVQMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-8(11)10(12)9-6-4-2-3-5-7-9/h8-12H,2-7H2,1H3.
What are the key properties of 1-cycloheptylpropane-1,2-diol?
1-cycloheptylpropane-1,2-diol has a molecular weight of 172.27 g/mol, XLogP of 1.70, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptylpropane-1,2-diol is sourced from PubChem (CID 103452573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).